CID 3040884

Brn 0832630

Structural Information

Molecular Formula
C15H15N3O3S
SMILES
CCSC1=CC=C(C=C1)C(=O)C(NC(=O)C2=NC=CN=C2)O
InChI
InChI=1S/C15H15N3O3S/c1-2-22-11-5-3-10(4-6-11)13(19)15(21)18-14(20)12-9-16-7-8-17-12/h3-9,15,21H,2H2,1H3,(H,18,20)
InChIKey
BRGQMYPOGWYJRF-UHFFFAOYSA-N
Compound name
N-[2-(4-ethylsulfanylphenyl)-1-hydroxy-2-oxoethyl]pyrazine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

317.0834 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.09068 170.1
[M+Na]+ 340.07262 180.9
[M+NH4]+ 335.11722 175.7
[M+K]+ 356.04656 174.4
[M-H]- 316.07612 171.8
[M+Na-2H]- 338.05807 176.4
[M]+ 317.08285 172.3
[M]- 317.08395 172.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.